[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H17F2N7O — CID 109310691

IUPAC[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(Nc2ccc(F)c(F)c2)n1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17F2N7O/c20-14-3-2-13(12-15(14)21)25-18-22-7-4-16(26-18)17(29)27-8-10-28(11-9-27)19-23-5-1-6-24-19/h1-7,12H,8-11H2,(H,22,25,26)
InChIKeyFVWHLUGPLUWOMA-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.25
Rot. Bonds4

About [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109310691) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109310691
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(Nc2ccc(F)c(F)c2)n1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17F2N7O/c20-14-3-2-13(12-15(14)21)25-18-22-7-4-16(26-18)17(29)27-8-10-28(11-9-27)19-23-5-1-6-24-19/h1-7,12H,8-11H2,(H,22,25,26)
InChIKeyFVWHLUGPLUWOMA-UHFFFAOYSA-N
XLogP2.25
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302672
[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109310067
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109305270
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310669
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
4-(2-anilinopyrimidine-4-carbonyl)piperazine-1-carboxylic acid
CID 174220417
[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309529
[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109301449
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109304475

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109310691) is [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccnc(Nc2ccc(F)c(F)c2)n1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FVWHLUGPLUWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-14-3-2-13(12-15(14)21)25-18-22-7-4-16(26-18)17(29)27-8-10-28(11-9-27)19-23-5-1-6-24-19/h1-7,12H,8-11H2,(H,22,25,26).
What are the key properties of [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 397.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109310691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).